(phenylmethyl) 2-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: benzyl 2-(4-fluorophenyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 2-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylic acid benzyl ester Formula: C27H19FN2O2S MolecularWeight: 454.515363

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=S)N1C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=S)N1C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H19FN2O2S/c28-21-13-11-20(12-14-21)23-15-22(19-9-5-2-6-10-19)25-24(29-23)16-30(26(25)33)27(31)32-17-18-7-3-1-4-8-18/h1-15H,16-17H2